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Molecule Identifiers
Molecular Properties

ID: 141415

SMILES:
N(CCc1c(OC)c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)Cc1ccccc1N

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.569

CB1 binding score: -16.624

InChIKey:
NZQNMJHKXCISPG-UHFFFAOYSA-N

ID: 141416

SMILES:
O=C(Oc1c(CCCCC)cc2c(c1)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -17.199

InChIKey:
HGOUZDOJAIERRN-UHFFFAOYSA-N

ID: 141417

SMILES:
C1CC(C)=CC2c3c(O)cc(CCCC)cc3OC1C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -14.605

InChIKey:
UAAPHMRCHMGHIY-UHFFFAOYSA-N

ID: 141418

SMILES:
c12c(c(O)cc(CCCCC)c1O)C1C(C(C)(C)O2)CCC(O)(C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -15.2

InChIKey:
BMBRKUPSGSHMQE-UHFFFAOYSA-N

ID: 141419

SMILES:
CC1(C)C2(CCC(CO)=CC2)c2c(cc(CCC(=O)OC)cc2)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -14.69

InChIKey:
RZLGFTIZMHATTM-UHFFFAOYSA-N

ID: 141420

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 141421

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 141422

SMILES:
C12C(C(C)(C)Oc3cc(C)c(CCC=CC)c(O)c31)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.193

InChIKey:
CCPXUASLYZANDM-UHFFFAOYSA-N

ID: 141423

SMILES:
CC(=C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 141424

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 312.453

CB1 binding score: -18.585

InChIKey:
HVEYNLWUTOKMJT-UHFFFAOYSA-N

ID: 141425

SMILES:
C(C=C)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CCC=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.518

CB1 binding score: -15.292

InChIKey:
YZIMQMDUMOVBIV-UHFFFAOYSA-N

ID: 141426

SMILES:
CC(C)=CCCC1(C)C=Cc2c(cc(CCCCCCC[N+](=O)O)c(C)c2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.556

CB1 binding score: -16.183

InChIKey:
HVZDKBXULGSOKH-UHFFFAOYSA-N

ID: 141427

SMILES:
c1(OC)c(O)c2c(cc1CCCCC)OC(C)(C)C1=C2C(=O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.546

InChIKey:
ROZJAHIYSHNLCD-UHFFFAOYSA-N

ID: 141428

SMILES:
CC1(C)C2=CCC(C)CC2c2c(O)cc(CCC)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.831

InChIKey:
ZKAZYEAKFHSXMH-UHFFFAOYSA-N

ID: 141429

SMILES:
C(O)CCc1c(N)c(C2C=C(C)C(O)CC2C(C)=C)c(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 331.456

CB1 binding score: -15.119

InChIKey:
ABSROAQZGYMXFK-UHFFFAOYSA-N

ID: 141430

SMILES:
C1(c2cc(O)cc(CCCC)c2)C(C(C)(O)C)CCC(=C)C1CCC(=CCO)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -16.802

InChIKey:
RQFQUMGNHVKWIK-UHFFFAOYSA-N

ID: 141431

SMILES:
C1C(C(=CCC(C(=C)C)CC)C)=CC(c2c(O)c(C)c(O)c(C)c2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -17.097

InChIKey:
BOOUBKKIYHHVJS-UHFFFAOYSA-N

ID: 141432

SMILES:
c1(N)ccc(CCc2cc3c(c(O)c2)C2C(CCC(C)=C2)C(C)(C)O3)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 363.501

CB1 binding score: -14.868

InChIKey:
DXRQHWKWCDFDGU-UHFFFAOYSA-N

ID: 141433

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 141434

SMILES:
C(C(C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=C1)C)C(C(C)(C)O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.564

CB1 binding score: -16.189

InChIKey:
VXGPNELXZICYBV-UHFFFAOYSA-N

ID: 141435

SMILES:
C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(CCCC(C)=C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.476

InChIKey:
ORVKRFAHYZGBOB-UHFFFAOYSA-N

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141415–141435 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties